Acetate → HCID 57460369, compound

HRID 303122Notes

Reaction equation

HRID 303122 reaction equation
[C:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[CH2:54]([Cl:55])[Cl:56].[CH3:1][c:2]1[nH:3][c:4](=[O:26])[c:5]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[c:6]([CH2:8][CH2:9][CH3:10])[n:7]1.[CH3:27][C:28]1([CH3:40])[O:29][c:30]2[c:31]([cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]2)[CH2:32]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cu+2:67].[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[CH3:1][c:2]1[n:3](-[c:34]2[cH:33][c:31]3[c:30]([cH:36][cH:35]2)[O:29][C:28]([CH3:27])([CH3:40])[CH2:32]3)[c:4](=[O:26])[c:5]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[c:6]([CH2:8][CH2:9][CH3:10])[n:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 23005350(2,2-Dimethyl-2,3-dihydro-1-benzofuran-5-yl)boronic acidHCID 1354272734'-[(2-Methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl)methyl]biphenyl-2-carbonitrile

Product 1

HCID 57460369HCID 57460369, compound

Sources & evidence

ORD record
ord-916f8732409b4bd99823a4ac7932acd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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